N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide

C13H16N4O2S2 — CID 133335036

IUPACN-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nc(C2CC2)ns1)c1ccccc1
InChIInChI=1S/C13H16N4O2S2/c18-21(19,11-4-2-1-3-5-11)15-9-8-14-13-16-12(17-20-13)10-6-7-10/h1-5,10,15H,6-9H2,(H,14,16,17)
InChIKeyHIUFCSOAXPINRI-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.81
Rot. Bonds7

About N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide

N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133335036) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID133335036
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC NameN-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nc(C2CC2)ns1)c1ccccc1
InChIInChI=1S/C13H16N4O2S2/c18-21(19,11-4-2-1-3-5-11)15-9-8-14-13-16-12(17-20-13)10-6-7-10/h1-5,10,15H,6-9H2,(H,14,16,17)
InChIKeyHIUFCSOAXPINRI-UHFFFAOYSA-N
XLogP1.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 133335036) is N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1nc(C2CC2)ns1)c1ccccc1.
What is the InChIKey of N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is HIUFCSOAXPINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c18-21(19,11-4-2-1-3-5-11)15-9-8-14-13-16-12(17-20-13)10-6-7-10/h1-5,10,15H,6-9H2,(H,14,16,17).
What are the key properties of N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133335036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).